Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | TLR4 | O00206 | 1/20 | 0.39 |
| ▸ | TLR2 | O60603 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CCR1 | P32246 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | CCR8 | P51685 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL26849314 | 0.92 | CYP2A6 (0.46) | CYP2A6HTR1AHTR7TLR4TLR2 | |
| SCHEMBL5102763 | 0.91 | CYP2A6 (0.44) | GRM5CYP2A6HTR1AHTR7TLR4 | |
| SCHEMBL15133747 | 0.89 | GRM5 (0.50) | GRM5CYP2A6HTR1AHTR7TLR4 | |
| SCHEMBL30109153 | 0.89 | CYP2A6 (0.46) | CYP2A6HTR1AHTR7TLR4TLR2 | |
| SCHEMBL5115970 | 0.89 | CYP2A6 (0.46) | CYP2A6HTR1AHTR7TLR4TLR2 | |
| SCHEMBL16484524 | 0.89 | CYP2A6 (0.46) | CYP2A6HTR1AHTR7TLR4TLR2 | |
| SCHEMBL15133751 | 0.85 | CYP2A6 (0.40) | CYP2A6HTR1AHTR7TLR4TLR2 | |
| SCHEMBL15606465 | 0.82 | CYP2A6 (0.40) | GRM5CYP2A6HTR1AHTR7TLR4 | |
| SCHEMBL28432843 | 0.81 | GRM5 (0.43) | GRM5CYP2A6HTR1AHTR7TLR4 | |
| SCHEMBL3141411 | 0.80 | CYP2A6 (0.41) | GRM5CYP2A6HTR1AHTR7TLR4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170317298-A1 | ORGANIC METAL COMPLEXES | UDC IRELAND LIMITED (IE) | 2017-11-02 | — | — | US | disclosed |
| US-20170317298-A1 | ORGANIC METAL COMPLEXES | UDC IRELAND LIMITED (IE) | 2017-11-02 | — | — | US | disclosed |
| US-9748502-B2 | Organic metal complexes | MERCK PATENT GMBH (DE) | 2017-08-29 | — | — | US | disclosed |
| US-9748502-B2 | Organic metal complexes | MERCK PATENT GMBH (DE) | 2017-08-29 | — | — | US | disclosed |
| US-20140371825-A1 | ORGANIC METAL COMPLEXES | UDC IRELAND LIMITED (IE) | 2014-12-18 | — | — | US | disclosed |
| US-20140371825-A1 | ORGANIC METAL COMPLEXES | UDC IRELAND LIMITED (IE) | 2014-12-18 | — | — | US | disclosed |